Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=C(C=C1CN)Cl)C(F)(F)F |
|---|---|
| IUPAC Name | [3-chloro-4-(trifluoromethyl)phenyl]methanamine |
| InChIKey | GRCRXCBPWHSEOI-UHFFFAOYSA-N |
| INCHI | 1S/C8H7ClF3N/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3H,4,13H2 |
| Isomeric SMILES | C1=CC(=C(C=C1CN)Cl)C(F)(F)F |
| Molecular Weight | 209.59 |
| Reaxy-Rn | 13905789 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13905789&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Phenylmethylamines Benzylamines Chlorobenzenes Aralkylamines Aryl chlorides Organofluorides Organochlorides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Benzylamine - Phenylmethylamine - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Alkyl fluoride - Organochloride - Organohalogen compound - Primary aliphatic amine - Organofluoride - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Sep 08, 2025 | C135098 | |
| Certificate of Analysis | Sep 08, 2025 | C135098 | |
| Certificate of Analysis | Sep 08, 2025 | C135098 | |
| Certificate of Analysis | Sep 08, 2025 | C135098 |
| Sensitivity | Air sensitive |
|---|---|
| Molecular Weight | 209.590 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 209.022 Da |
| Monoisotopic Mass | 209.022 Da |
| Topological Polar Surface Area | 26.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 171.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |